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CHEBI:203564 - Pseudogymnoascin C

ChEBI IDCHEBI:203564
ChEBI NamePseudogymnoascin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19NO12
Net Charge0
Average Mass465.367
Monoisotopic Mass465.09073
SMILESCOC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)O[C@@H](C)C(=O)O)c(OC)cc(O)c1[N+](=O)[O-]
InChIInChI=1S/C20H19NO12/c1-8-5-10(22)14(20(27)32-9(2)18(24)25)12(6-8)33-17-13(30-3)7-11(23)16(21(28)29)15(17)19(26)31-4/h5-7,9,22-23H,1-4H3,(H,24,25)/t9-/m0/s1
InChIKeyOCYICDINBUIUEQ-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Pseudogymnoascusspecies (ncbitaxon:1891168) - PubMed (25732560)
ChEBI Ontology
Outgoing Relation(s)
Pseudogymnoascin C (CHEBI:203564) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[2-hydroxy-6-(4-hydroxy-6-methoxy-2-methoxycarbonyl-3-nitrophenoxy)-4-methylbenzoyl]oxypropanoic acid
Manual XrefsDatabases
35516928ChemSpider